UCSF

ZINC00396101

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Phenethylisobutyrate Phenethylisobutyrate

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CAS Number: 103-48-0

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.10 2.8 -5.65 0 2 0 26 192.258 5 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 3.176 Bitter DB

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Analogs ( Draw Identity 99% 90% 80% 70% )